1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone

C9H16FNO2 — CID 130620439

IUPAC1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(C)C(F)C1
InChIInChI=1S/C9H16FNO2/c1-7-3-4-11(5-8(7)10)9(12)6-13-2/h7-8H,3-6H2,1-2H3
InChIKeyIAKZCTPBIIVWJW-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.84
Rot. Bonds2

About 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone

1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone (PubChem CID 130620439) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone
PubChem CID130620439
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(C)C(F)C1
InChIInChI=1S/C9H16FNO2/c1-7-3-4-11(5-8(7)10)9(12)6-13-2/h7-8H,3-6H2,1-2H3
InChIKeyIAKZCTPBIIVWJW-UHFFFAOYSA-N
XLogP0.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-Trifluoro-2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10731515
1-(4-Methylpiperidin-1-yl)-2-(2-methylpropoxy)propan-1-one
CID 45818538
2-(2-Methylpropoxy)-1-piperidin-1-ylpropan-1-one
CID 51079669
2-Ethoxy-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 45823549
2-Methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 53517550
1-[(3S)-3-ethylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 93617975
1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone
CID 129348765
1-[(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-methoxyethanone
CID 129256183
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone
CID 129260773
1-[(3S)-3-fluoropiperidin-1-yl]-2-methoxyethanone
CID 129270829
1-(4,4-Difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone
CID 130457597
1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone
CID 148826626

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone (CID 130620439) is 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone is COCC(=O)N1CCC(C)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone?
The InChIKey is IAKZCTPBIIVWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7-3-4-11(5-8(7)10)9(12)6-13-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone?
1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone has a molecular weight of 189.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 130620439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).